(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide

C20H26N6O — CID 97193180

IUPAC(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide
SMILESCN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C20H26N6O/c1-24(2)11-12-25-10-8-22-19(25)17-6-4-9-26(15-17)20(27)23-18-7-3-5-16(13-18)14-21/h3,5,7-8,10,13,17H,4,6,9,11-12,15H2,1-2H3,(H,23,27)/t17-/m1/s1
InChIKeyOGCNDNJVEVBNIR-QGZVFWFLSA-N
MW366.47 g/mol
LogP2.73
Rot. Bonds5

About (3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide

(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide (PubChem CID 97193180) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide
PubChem CID97193180
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide
SMILESCN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C20H26N6O/c1-24(2)11-12-25-10-8-22-19(25)17-6-4-9-26(15-17)20(27)23-18-7-3-5-16(13-18)14-21/h3,5,7-8,10,13,17H,4,6,9,11-12,15H2,1-2H3,(H,23,27)/t17-/m1/s1
InChIKeyOGCNDNJVEVBNIR-QGZVFWFLSA-N
XLogP2.73
TPSA77.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 97202915
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 97202742
5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72882373
N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97207615
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
(3,4-dimethoxyphenyl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72883629
[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone
CID 72867995
(2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 95629024
1-[5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 72842343

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide (CID 97193180) is (3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide is CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of (3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide?
The InChIKey is OGCNDNJVEVBNIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N6O/c1-24(2)11-12-25-10-8-22-19(25)17-6-4-9-26(15-17)20(27)23-18-7-3-5-16(13-18)14-21/h3,5,7-8,10,13,17H,4,6,9,11-12,15H2,1-2H3,(H,23,27)/t17-/m1/s1.
What are the key properties of (3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide?
(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97193180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).